| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.5 | Very low | 47.5 | Very low | 240 Ų | 240 | 107.9 Ų | 107.9 | 100% | 1.182 | 56% | 0.557 | S | S | * | * | 0 | 58.3 | 0 | -65 | 178.2 | 174.2 | 0 | 0 | 111.4 | |||||
| 2 | Y | 43.5 | Very low | 47.5 | Very low | 194 Ų | 194 | 108.7 Ų | 108.7 | 76% | 0.761 | 56% | 0.556 | S | S | * | * | trans | -133.1 | 2 | -179.3 | -117.5 | -91.3 | 0 | 0 | 0 | 114.2 | ||||
| 3 | T | 54.9 | Low | 47.7 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 75% | 0.748 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -88.1 | -28.9 | -172.3 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | W7 | T3-W7 PolarHBondContact O-N 3.03Å |
| 4 | G | 51.3 | Low | 47.8 | Very low | 43 Ų | 43 | 100.7 Ų | 100.7 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -44.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W7 L8 | G4-W7 PolarHBondContact O-N 2.97Å; G4-L8 WeakPolarHBondContact O-CG 3.32Å; G4-L8 PolarHBondContact O-N 3.11Å |
| 5 | S | 55.4 | Low | 47.8 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 53% | 0.531 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | -176 | -50.4 | 0 | 0 | 0 | 0 | 112.6 | W7 L8 L9 | S5-W7 VanDerWaalsContact C-N 3.3Å; S5-W7 PolarHBondContact O-N 2.76Å; S5-L8 PolarHBondContact O-N 3.32Å; S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 VanDerWaalsContact O-CG 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.33Å; S5-L9 PolarHBondContact O-N 3.4Å |
| 6 | L | 46.7 | Very low | 47.7 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 176.8 | -74.3 | 172 | 0 | 0 | 0 | 111.6 | Y10 | L6-Y10 WeakPolarHBondContact O-CB 3.33Å; L6-Y10 PolarHBondContact O-N 3.23Å |
| 7 | W | 45.1 | Very low | 47.7 | Very low | 96 Ų | 96 | 92.8 Ų | 92.8 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.5 | -179.5 | -107.2 | 0 | 0 | 0 | 112.5 | T3 G4 S5 Y10 I11 Q45 | T3-W7 PolarHBondContact O-N 3.03Å; G4-W7 PolarHBondContact O-N 2.97Å; S5-W7 VanDerWaalsContact C-N 3.3Å; S5-W7 PolarHBondContact O-N 2.76Å; W7-Y10 HydrophobicContact CE3-CD1 4.36Å; W7-Y10 HydrophobicContact CZ3-CD1 4.15Å; W7-Y10 HydrophobicContact CZ3-CE1 4.4Å; W7-Y10 WeakPolarHBondContact O-CB 3.39Å; W7-Y10 PolarHBondContact O-N 2.75Å; W7-I11 HydrophobicContact CD2-CD1 4.39Å; W7-I11 HydrophobicContact CG-CD1 4.36Å; W7-I11 HydrophobicContact CZ2-CD1 4.14Å; W7-I11 HydrophobicContact CZ2-CG1 4.46Å; W7-I11 WeakPolarHBondContact O-CB 3.18Å; W7-I11 WeakPolarHBondContact O-CG1 3.31Å; W7-I11 PolarHBondContact O-N 2.74Å; W7-Q45 HydrophobicContact CH2-CB 4.38Å; W7-Q45 HydrophobicContact CH2-CG 4.46Å; W7-Q45 HydrophobicContact CZ2-CB 4.05Å; W7-Q45 HydrophobicContact CZ2-CG 3.8Å |
| 8 | L | 49.7 | Very low | 47.9 | Very low | 104 Ų | 104 | 87.7 Ų | 87.7 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.2 | -70.4 | 173 | 0 | 0 | 0 | 112.2 | G4 S5 Y10 I11 Q12 | G4-L8 WeakPolarHBondContact O-CG 3.32Å; G4-L8 PolarHBondContact O-N 3.11Å; S5-L8 PolarHBondContact O-N 3.32Å; L8-Y10 VanDerWaalsContact C-N 3.35Å; L8-I11 WeakPolarHBondContact O-CB 3.4Å; L8-I11 PolarHBondContact O-N 2.71Å; L8-Q12 WeakPolarHBondContact O-CG 3.14Å; L8-Q12 PolarHBondContact O-N 3.15Å |
| 9 | L | 46.9 | Very low | 47.9 | Very low | 102 Ų | 102 | 84.1 Ų | 84.1 | 53% | 0.534 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.3 | -75.7 | 168.3 | 0 | 0 | 0 | 111.3 | S5 I11 Q12 L13 | S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 VanDerWaalsContact O-CG 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.33Å; S5-L9 PolarHBondContact O-N 3.4Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.25Å; L9-Q12 PolarHBondContact O-N 3.15Å; L9-L13 WeakPolarHBondContact O-CB 2.98Å; L9-L13 PolarHBondContact O-N 3.06Å |
| 10 | Y | 47.8 | Very low | 48 | Very low | 63 Ų | 63 | 82.6 Ų | 82.6 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 175.4 | 178.2 | -97.8 | 0 | 0 | 0 | 111.8 | L6 W7 L8 L13 F14 L112 | L6-Y10 WeakPolarHBondContact O-CB 3.33Å; L6-Y10 PolarHBondContact O-N 3.23Å; W7-Y10 HydrophobicContact CE3-CD1 4.36Å; W7-Y10 HydrophobicContact CZ3-CD1 4.15Å; W7-Y10 HydrophobicContact CZ3-CE1 4.4Å; W7-Y10 WeakPolarHBondContact O-CB 3.39Å; W7-Y10 PolarHBondContact O-N 2.75Å; L8-Y10 VanDerWaalsContact C-N 3.35Å; Y10-L13 PolarHBondContact O-N 3.33Å; Y10-F14 VanDerWaalsContact O-CB 3.3Å; Y10-F14 WeakPolarHBondContact O-CB 3.31Å; Y10-F14 PolarHBondContact O-N 3.41Å; Y10-L112 HydrophobicContact CE2-CB 4.39Å; Y10-L112 HydrophobicContact CE2-CD2 4.26Å; Y10-L112 WeakPolarHBondContact OH-CB 3.3Å; Y10-L112 PolarHBondContact OH-O 3.37Å |
| 11 | I | 48 | Very low | 48 | Very low | 32 Ų | 32 | 79.2 Ų | 79.2 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.3 | -82.4 | 174.5 | 0 | 0 | 0 | 112 | W7 L8 L9 F14 S15 I42 | W7-I11 HydrophobicContact CD2-CD1 4.39Å; W7-I11 HydrophobicContact CG-CD1 4.36Å; W7-I11 HydrophobicContact CZ2-CD1 4.14Å; W7-I11 HydrophobicContact CZ2-CG1 4.46Å; W7-I11 WeakPolarHBondContact O-CB 3.18Å; W7-I11 WeakPolarHBondContact O-CG1 3.31Å; W7-I11 PolarHBondContact O-N 2.74Å; L8-I11 WeakPolarHBondContact O-CB 3.4Å; L8-I11 PolarHBondContact O-N 2.71Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.25Å; I11-F14 PolarHBondContact O-N 3.22Å; I11-S15 VanDerWaalsContact O-CB 3.24Å; I11-S15 WeakPolarHBondContact O-CB 3.24Å; I11-S15 PolarHBondContact O-N 3.16Å; I11-S15 PolarHBondContact O-OG 2.91Å; I11-I42 HydrophobicContact CB-CD1 3.8Å; I11-I42 HydrophobicContact CD1-CD1 3.78Å; I11-I42 HydrophobicContact CG1-CD1 3.45Å; I11-I42 VanDerWaalsContact CG1-CD1 3.45Å; I11-I42 HydrophobicContact CG2-CD1 3.29Å; I11-I42 HydrophobicContact CG2-CG1 4.36Å |
| 12 | Q | 47.8 | Very low | 48.8 | Very low | 117 Ų | 117 | 67.8 Ų | 67.8 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 179.7 | -75 | 176.7 | -30.4 | 0 | 0 | 110.6 | L8 L9 S15 M16 | L8-Q12 WeakPolarHBondContact O-CG 3.14Å; L8-Q12 PolarHBondContact O-N 3.15Å; L9-Q12 PolarHBondContact O-N 3.15Å; Q12-S15 PolarHBondContact O-N 2.79Å; Q12-M16 WeakPolarHBondContact O-CB 2.87Å; Q12-M16 WeakPolarHBondContact O-CG 3.44Å; Q12-M16 PolarHBondContact O-N 3.45Å |
| 13 | L | 49 | Very low | 49.1 | Very low | 93 Ų | 93 | 59.3 Ų | 59.3 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -51.4 | 177.2 | -173.4 | 69.6 | 0 | 0 | 0 | 110.4 | L9 Y10 S15 M16 V17 | L9-L13 WeakPolarHBondContact O-CB 2.98Å; L9-L13 PolarHBondContact O-N 3.06Å; Y10-L13 PolarHBondContact O-N 3.33Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 3.27Å; L13-M16 PolarHBondContact O-N 2.83Å; L13-V17 WeakPolarHBondContact O-CG2 2.89Å; L13-V17 PolarHBondContact O-N 2.83Å |
| 14 | F | 49.1 | Very low | 48.9 | Very low | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 177.8 | -177 | -74.2 | 0 | 0 | 0 | 111.4 | Y10 I11 M16 V17 A18 I48 L109 V113 | Y10-F14 VanDerWaalsContact O-CB 3.3Å; Y10-F14 WeakPolarHBondContact O-CB 3.31Å; Y10-F14 PolarHBondContact O-N 3.41Å; I11-F14 PolarHBondContact O-N 3.22Å; F14-M16 PolarHBondContact O-N 3.49Å; F14-V17 PolarHBondContact O-N 3.47Å; F14-A18 HydrophobicContact CD1-CB 4.37Å; F14-A18 HydrophobicContact CE1-CB 4.19Å; F14-A18 VanDerWaalsContact O-CB 3.29Å; F14-A18 WeakPolarHBondContact O-CB 3.43Å; F14-A18 PolarHBondContact O-N 3.16Å; F14-I48 HydrophobicContact CD1-CD1 3.03Å; F14-I48 HydrophobicContact CD1-CG1 3.95Å; F14-I48 HydrophobicContact CE1-CB 4.24Å; F14-I48 HydrophobicContact CE1-CD1 3.23Å; F14-I48 HydrophobicContact CE1-CG1 3.6Å; F14-I48 HydrophobicContact CG-CD1 4.1Å; F14-I48 HydrophobicContact CZ-CD1 4.43Å; F14-L109 HydrophobicContact CD2-CD1 4.17Å; F14-L109 HydrophobicContact CD2-CD2 4.49Å; F14-L109 HydrophobicContact CD2-CG 3.95Å; F14-L109 HydrophobicContact CE1-CD2 3.94Å; F14-L109 HydrophobicContact CE1-CG 4.39Å; F14-L109 HydrophobicContact CE2-CD1 4.05Å; F14-L109 HydrophobicContact CE2-CD2 3.6Å; F14-L109 HydrophobicContact CE2-CG 3.39Å; F14-L109 HydrophobicContact CG-CD1 4.5Å; F14-L109 HydrophobicContact CZ-CD1 4.32Å; F14-L109 HydrophobicContact CZ-CD2 3.31Å; F14-L109 HydrophobicContact CZ-CG 3.69Å; F14-V113 HydrophobicContact CD2-CG2 4.49Å; F14-V113 HydrophobicContact CE2-CG2 3.45Å; F14-V113 VanDerWaalsContact CE2-CG2 3.45Å; F14-V113 HydrophobicContact CZ-CG2 3.91Å |
| 15 | S | 48.1 | Very low | 48.7 | Very low | 13 Ų | 13 | 55.1 Ų | 55.1 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | I11 Q12 L13 S19 V40 | I11-S15 VanDerWaalsContact O-CB 3.24Å; I11-S15 WeakPolarHBondContact O-CB 3.24Å; I11-S15 PolarHBondContact O-N 3.16Å; I11-S15 PolarHBondContact O-OG 2.91Å; Q12-S15 PolarHBondContact O-N 2.79Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 3.27Å; S15-S19 VanDerWaalsContact O-CB 3.3Å; S15-S19 WeakPolarHBondContact O-CB 2.94Å; S15-S19 PolarHBondContact O-N 2.81Å; S15-S19 PolarHBondContact O-OG 2.03Å; S15-V40 WeakPolarHBondContact OG-CG1 3.45Å |
| 16 | M | 45.7 | Very low | 48.2 | Very low | 136 Ų | 136 | 51.7 Ų | 51.7 | 67% | 0.67 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 173.8 | -76.8 | -179.9 | 61.4 | 0 | 0 | 111.3 | Q12 L13 F14 S19 A20 | Q12-M16 WeakPolarHBondContact O-CB 2.87Å; Q12-M16 WeakPolarHBondContact O-CG 3.44Å; Q12-M16 PolarHBondContact O-N 3.45Å; L13-M16 PolarHBondContact O-N 2.83Å; F14-M16 PolarHBondContact O-N 3.49Å; M16-S19 PolarHBondContact O-N 3.04Å; M16-A20 WeakPolarHBondContact O-CB 3.43Å; M16-A20 PolarHBondContact O-N 3.01Å |
| 17 | V | 49.1 | Very low | 48.3 | Very low | 18 Ų | 18 | 52.9 Ų | 52.9 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -46.4 | -178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L13 F14 S19 A20 C21 L104 L109 | L13-V17 WeakPolarHBondContact O-CG2 2.89Å; L13-V17 PolarHBondContact O-N 2.83Å; F14-V17 PolarHBondContact O-N 3.47Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.13Å; V17-A20 PolarHBondContact O-N 2.88Å; V17-C21 VanDerWaalsContact O-CB 3.27Å; V17-C21 WeakPolarHBondContact O-CB 3.22Å; V17-C21 PolarHBondContact O-N 2.86Å; V17-C21 PolarHBondContact O-SG 2.02Å; V17-L104 HydrophobicContact CG2-CD2 3.62Å; V17-L109 HydrophobicContact CB-CD1 3.8Å; V17-L109 HydrophobicContact CG1-CD1 3.47Å; V17-L109 VanDerWaalsContact CG1-CD1 3.47Å |
| 18 | A | 50.3 | Low | 48.3 | Very low | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F14 C21 C22 L50 L109 | F14-A18 HydrophobicContact CD1-CB 4.37Å; F14-A18 HydrophobicContact CE1-CB 4.19Å; F14-A18 VanDerWaalsContact O-CB 3.29Å; F14-A18 WeakPolarHBondContact O-CB 3.43Å; F14-A18 PolarHBondContact O-N 3.16Å; A18-C21 PolarHBondContact O-N 2.02Å; A18-C22 WeakPolarHBondContact O-CB 3.41Å; A18-C22 PolarHBondContact O-N 3.36Å; A18-C22 PolarHBondContact O-SG 3.26Å; A18-L50 HydrophobicContact CB-CD1 3.88Å; A18-L109 HydrophobicContact CB-CD1 4.1Å; A18-L109 HydrophobicContact CB-CD2 4.19Å |
| 19 | S | 48.4 | Very low | 48 | Very low | 20 Ų | 20 | 55.6 Ų | 55.6 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.1 | -67.8 | 0 | 0 | 0 | 0 | 113 | S15 M16 V17 C21 C22 S23 L50 | S15-S19 VanDerWaalsContact O-CB 3.3Å; S15-S19 WeakPolarHBondContact O-CB 2.94Å; S15-S19 PolarHBondContact O-N 2.81Å; S15-S19 PolarHBondContact O-OG 2.03Å; M16-S19 PolarHBondContact O-N 3.04Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.13Å; S19-C21 VanDerWaalsContact C-N 3.35Å; S19-C21 PolarHBondContact O-N 3.32Å; S19-C22 PolarHBondContact O-N 2.94Å; S19-S23 VanDerWaalsContact O-CB 3.31Å; S19-S23 WeakPolarHBondContact O-CB 3.41Å; S19-S23 PolarHBondContact O-N 3.41Å; S19-L50 WeakPolarHBondContact OG-CD2 3.24Å |
| 20 | A | 49.5 | Very low | 47.9 | Very low | 54 Ų | 54 | 53 Ų | 53 | 45% | 0.446 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M16 V17 S23 T24 | M16-A20 WeakPolarHBondContact O-CB 3.43Å; M16-A20 PolarHBondContact O-N 3.01Å; V17-A20 PolarHBondContact O-N 2.88Å; A20-S23 PolarHBondContact O-N 3.39Å; A20-T24 WeakPolarHBondContact O-CB 3.08Å; A20-T24 PolarHBondContact O-N 3.06Å; A20-T24 PolarHBondContact O-OG1 3.49Å |
| 21 | C | 48.3 | Very low | 47.9 | Very low | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.081 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 175.7 | -80.7 | 0 | 0 | 0 | 0 | 112.1 | V17 A18 S19 S23 T24 C25 C106 | V17-C21 VanDerWaalsContact O-CB 3.27Å; V17-C21 WeakPolarHBondContact O-CB 3.22Å; V17-C21 PolarHBondContact O-N 2.86Å; V17-C21 PolarHBondContact O-SG 2.02Å; A18-C21 PolarHBondContact O-N 2.02Å; S19-C21 VanDerWaalsContact C-N 3.35Å; S19-C21 PolarHBondContact O-N 3.32Å; C21-S23 PolarHBondContact O-N 3Å; C21-T24 PolarHBondContact O-N 2.04Å; C21-C25 WeakPolarHBondContact O-CB 3.01Å; C21-C25 PolarHBondContact O-N 3.37Å; C21-C25 PolarHBondContact O-SG 3.41Å; C21-C25 VanDerWaalsContact O-SG 3.36Å; C21-C106 WeakPolarHBondContact CA-SG 3.4Å; C21-C106 HydrophobicContact CB-CB 3.87Å; C21-C106 WeakPolarHBondContact CB-SG 3.4Å; C21-C106 WeakPolarHBondContact SG-CA 3.12Å; C21-C106 WeakPolarHBondContact SG-CB 3.36Å; C21-C106 CovalentContact SG-SG 2.02Å; C21-C106 PolarHBondContact SG-SG 3.33Å |
| 22 | C | 49.9 | Very low | 47.9 | Very low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 179.8 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | A18 S19 T24 C26 C63 F65 | A18-C22 WeakPolarHBondContact O-CB 3.41Å; A18-C22 PolarHBondContact O-N 3.36Å; A18-C22 PolarHBondContact O-SG 3.26Å; S19-C22 PolarHBondContact O-N 2.94Å; C22-T24 VanDerWaalsContact C-N 3.35Å; C22-T24 PolarHBondContact O-N 3.44Å; C22-C26 WeakPolarHBondContact O-CB 3.38Å; C22-C26 PolarHBondContact O-N 2.91Å; C22-C26 PolarHBondContact O-SG 3.19Å; C22-C63 WeakPolarHBondContact CA-SG 3.46Å; C22-C63 HydrophobicContact CB-CB 3.68Å; C22-C63 WeakPolarHBondContact CB-SG 3.27Å; C22-C63 WeakPolarHBondContact SG-CB 2.8Å; C22-C63 CovalentContact SG-SG 2.04Å; C22-C63 PolarHBondContact SG-SG 2.9Å; C22-F65 HydrophobicContact CB-CE2 3.94Å; C22-F65 HydrophobicContact CB-CZ 4.19Å |
| 23 | S | 50.4 | Low | 47.6 | Very low | 15 Ų | 15 | 54.9 Ų | 54.9 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 171.7 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | S19 A20 C21 R27 | S19-S23 VanDerWaalsContact O-CB 3.31Å; S19-S23 WeakPolarHBondContact O-CB 3.41Å; S19-S23 PolarHBondContact O-N 3.41Å; A20-S23 PolarHBondContact O-N 3.39Å; C21-S23 PolarHBondContact O-N 3Å; S23-R27 VanDerWaalsContact O-CB 3.31Å; S23-R27 WeakPolarHBondContact O-CB 3.08Å; S23-R27 PolarHBondContact O-N 2.87Å; S23-R27 PolarHBondContact OG-NH2 2.93Å |
| 24 | T | 50.2 | Low | 47.4 | Very low | 69 Ų | 69 | 58.7 Ų | 58.7 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73 | -44 | -179.3 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | A20 C21 C22 R27 R28 | A20-T24 WeakPolarHBondContact O-CB 3.08Å; A20-T24 PolarHBondContact O-N 3.06Å; A20-T24 PolarHBondContact O-OG1 3.49Å; C21-T24 PolarHBondContact O-N 2.04Å; C22-T24 VanDerWaalsContact C-N 3.35Å; C22-T24 PolarHBondContact O-N 3.44Å; T24-R27 PolarHBondContact O-N 2.9Å; T24-R28 PolarHBondContact O-N 2.88Å |
| 25 | C | 47.7 | Very low | 47.1 | Very low | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 172.9 | -73.5 | 0 | 0 | 0 | 0 | 111.1 | C21 R28 L29 C80 | C21-C25 WeakPolarHBondContact O-CB 3.01Å; C21-C25 PolarHBondContact O-N 3.37Å; C21-C25 PolarHBondContact O-SG 3.41Å; C21-C25 VanDerWaalsContact O-SG 3.36Å; C25-R28 PolarHBondContact O-N 2.83Å; C25-L29 WeakPolarHBondContact O-CG 3.47Å; C25-L29 PolarHBondContact O-N 3.5Å; C25-C80 HydrophobicContact CB-CB 3.88Å; C25-C80 WeakPolarHBondContact CB-SG 3.26Å; C25-C80 WeakPolarHBondContact SG-CB 3.36Å; C25-C80 CovalentContact SG-SG 2.02Å; C25-C80 PolarHBondContact SG-SG 3.02Å |
| 26 | C | 45.6 | Very low | 46.8 | Very low | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 178.2 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | C22 R28 L29 L30 M35 L58 C62 | C22-C26 WeakPolarHBondContact O-CB 3.38Å; C22-C26 PolarHBondContact O-N 2.91Å; C22-C26 PolarHBondContact O-SG 3.19Å; C26-R28 PolarHBondContact O-N 3.36Å; C26-L29 PolarHBondContact O-N 2.71Å; C26-L29 VanDerWaalsContact O-N 3.16Å; C26-L30 WeakPolarHBondContact O-CB 3.36Å; C26-L30 PolarHBondContact O-N 3.38Å; C26-M35 HydrophobicContact CB-CE 4.47Å; C26-M35 HydrophobicContact CB-SD 3.96Å; C26-L58 HydrophobicContact CB-CD2 4.12Å; C26-C62 WeakPolarHBondContact CA-SG 3.34Å; C26-C62 HydrophobicContact CB-CB 4.4Å; C26-C62 WeakPolarHBondContact CB-SG 3.3Å; C26-C62 WeakPolarHBondContact SG-CB 3.46Å; C26-C62 CovalentContact SG-SG 2.03Å; C26-C62 PolarHBondContact SG-SG 2.94Å |
| 27 | R | 47.8 | Very low | 46.8 | Very low | 140 Ų | 140 | 61.4 Ų | 61.4 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 173.6 | -96.8 | -175.3 | -93.4 | -165.1 | -9.1 | 112.4 | S23 T24 G31 | S23-R27 VanDerWaalsContact O-CB 3.31Å; S23-R27 WeakPolarHBondContact O-CB 3.08Å; S23-R27 PolarHBondContact O-N 2.87Å; S23-R27 PolarHBondContact OG-NH2 2.93Å; T24-R27 PolarHBondContact O-N 2.9Å; R27-G31 CarbonylContact C-O 3.49Å; R27-G31 WeakPolarHBondContact CA-O 3.32Å; R27-G31 CarbonylContact O-C 3.52Å; R27-G31 VanDerWaalsContact O-C 3.27Å; R27-G31 WeakPolarHBondContact O-CA 3.49Å; R27-G31 PolarHBondContact O-N 3.02Å |
| 28 | R | 45 | Very low | 46.6 | Very low | 164 Ų | 164 | 67.2 Ų | 67.2 | 62% | 0.619 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70.2 | -36.7 | 175.3 | -74.5 | -179.5 | 175.3 | 174.7 | -4 | 112.8 | T24 C25 C26 H82 | T24-R28 PolarHBondContact O-N 2.88Å; C25-R28 PolarHBondContact O-N 2.83Å; C26-R28 PolarHBondContact O-N 3.36Å; R28-H82 PolarHBondContact NH1-CD2 3.36Å; R28-H82 PolarHBondContact NH1-CE1 3.42Å; R28-H82 PolarHBondContact NH1-NE2 2.8Å |
| 29 | L | 42.9 | Very low | 46.2 | Very low | 94 Ų | 94 | 70.9 Ų | 70.9 | 49% | 0.492 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -81.9 | -33.4 | -179.4 | -70.2 | 171.4 | 0 | 0 | 0 | 113.8 | C25 C26 P59 H61 | C25-L29 WeakPolarHBondContact O-CG 3.47Å; C25-L29 PolarHBondContact O-N 3.5Å; C26-L29 PolarHBondContact O-N 2.71Å; C26-L29 VanDerWaalsContact O-N 3.16Å; L29-P59 HydrophobicContact CB-CG 4.09Å; L29-P59 HydrophobicContact CD1-CG 4.46Å; L29-H61 HydrophobicContact CD1-CB 4.02Å |
| 30 | L | 44.9 | Very low | 45.9 | Very low | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -102.3 | -9.4 | -175.7 | -75 | 178.8 | 0 | 0 | 0 | 114 | C26 V33 L58 P59 | C26-L30 WeakPolarHBondContact O-CB 3.36Å; C26-L30 PolarHBondContact O-N 3.38Å; L30-V33 HydrophobicContact CB-CB 3.97Å; L30-V33 HydrophobicContact CB-CG2 3.73Å; L30-V33 HydrophobicContact CD1-CB 4.22Å; L30-V33 HydrophobicContact CD1-CG1 4.26Å; L30-V33 HydrophobicContact CD1-CG2 4.44Å; L30-V33 WeakPolarHBondContact O-CG2 3.14Å; L30-L58 HydrophobicContact CD1-CD2 3.37Å; L30-L58 HydrophobicContact CD1-CG 4.16Å; L30-P59 HydrophobicContact CD2-CG 4.13Å; L30-P59 HydrophobicContact CG-CG 4.21Å |
| 31 | G | 48.6 | Very low | 45.6 | Very low | 35 Ų | 35 | 72.2 Ų | 72.2 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 77.8 | -153.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R27 V33 | R27-G31 CarbonylContact C-O 3.49Å; R27-G31 WeakPolarHBondContact CA-O 3.32Å; R27-G31 CarbonylContact O-C 3.52Å; R27-G31 VanDerWaalsContact O-C 3.27Å; R27-G31 WeakPolarHBondContact O-CA 3.49Å; R27-G31 PolarHBondContact O-N 3.02Å; G31-V33 PolarHBondContact O-N 2.74Å |
| 32 | H | 47.3 | Very low | 45.3 | Very low | 194 Ų | 194 | 74.4 Ų | 74.4 | 90% | 0.898 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -70.4 | 36.8 | -178 | -62.8 | -87.5 | 0 | 0 | 0 | 114.6 | K34 | H32-K34 PolarHBondContact O-N 2.78Š|
| 33 | V | 41.2 | Very low | 44.8 | Very low | 24 Ų | 24 | 80.9 Ų | 80.9 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | trans | -72.4 | 122 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | L30 G31 M35 S54 K56 | L30-V33 HydrophobicContact CB-CB 3.97Å; L30-V33 HydrophobicContact CB-CG2 3.73Å; L30-V33 HydrophobicContact CD1-CB 4.22Å; L30-V33 HydrophobicContact CD1-CG1 4.26Å; L30-V33 HydrophobicContact CD1-CG2 4.44Å; L30-V33 WeakPolarHBondContact O-CG2 3.14Å; G31-V33 PolarHBondContact O-N 2.74Å; V33-M35 PolarHBondContact O-N 2.97Å; V33-S54 WeakPolarHBondContact CG1-OG 3.41Å; V33-K56 HydrophobicContact CG2-CD 4.25Å | ||
| 34 | K | 44.7 | Very low | 44.2 | Very low | 173 Ų | 173 | 86.5 Ų | 86.5 | 75% | 0.752 | 42% | 0.419 | S | S | * | . | trans | -68.1 | 123.8 | 170.6 | -67.1 | -176.3 | 179.6 | -178.7 | 0 | 108.2 | H32 | H32-K34 PolarHBondContact O-N 2.78Š| ||
| 35 | M | 43.5 | Very low | 43.7 | Very low | 24 Ų | 24 | 88.9 Ų | 88.9 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.8 | 178.1 | -164.8 | 175.7 | 86.2 | 0 | 0 | 107.6 | C26 V33 V37 A52 L58 F65 | C26-M35 HydrophobicContact CB-CE 4.47Å; C26-M35 HydrophobicContact CB-SD 3.96Å; V33-M35 PolarHBondContact O-N 2.97Å; M35-V37 HydrophobicContact CE-CG2 4.44Å; M35-A52 HydrophobicContact CE-CB 4.18Å; M35-A52 HydrophobicContact CG-CB 3.77Å; M35-A52 HydrophobicContact SD-CB 4.2Å; M35-L58 HydrophobicContact SD-CD1 4.31Å; M35-L58 HydrophobicContact SD-CD2 3.67Å; M35-F65 HydrophobicContact CE-CD2 4.47Å; M35-F65 HydrophobicContact CE-CE2 3.39Å; M35-F65 HydrophobicContact CE-CZ 3.42Å; M35-F65 VanDerWaalsContact CE-CZ 3.42Å; M35-F65 HydrophobicContact SD-CD2 4.36Å; M35-F65 HydrophobicContact SD-CE2 3.79Å; M35-F65 HydrophobicContact SD-CZ 4.19Å |
| 36 | E | 41.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 97.1 Ų | 97.1 | 67% | 0.673 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.5 | 177.5 | -74.1 | -176.3 | 164 | 0 | 0 | 108.7 | A52 R53 | E36-A52 CarbonylContact O-C 3.52Å; E36-A52 VanDerWaalsContact O-CA 3.22Å; E36-A52 WeakPolarHBondContact O-CA 3.29Å; E36-A52 WeakPolarHBondContact O-CB 3.44Å; E36-R53 PolarHBondContact N-O 2.73Å; E36-R53 VanDerWaalsContact N-O 3.11Å; E36-R53 PolarHBondContact O-N 3.47Å |
| 37 | V | 46.2 | Very low | 42.7 | Very low | 51 Ų | 51 | 99.8 Ų | 99.8 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.6 | 170.3 | -174.2 | 0 | 0 | 0 | 0 | 106.7 | M35 V40 L50 A52 F65 | M35-V37 HydrophobicContact CE-CG2 4.44Å; V37-V40 HydrophobicContact CG1-CG2 3.97Å; V37-L50 HydrophobicContact CG1-CD2 4.35Å; V37-A52 HydrophobicContact CB-CB 4.42Å; V37-A52 HydrophobicContact CG2-CB 3.99Å; V37-F65 HydrophobicContact CG2-CZ 4.44Å |
| 38 | Y | 45.9 | Very low | 42.3 | Very low | 140 Ų | 140 | 93.8 Ų | 93.8 | 55% | 0.549 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -13.8 | -176.2 | 62.4 | -92.2 | 0 | 0 | 0 | 113 | L51 R53 | Y38-L51 HydrophobicContact CE1-CB 4.17Å; Y38-L51 HydrophobicContact CE2-CB 3.97Å; Y38-L51 HydrophobicContact CE2-CD1 4.33Å; Y38-L51 PolarHBondContact N-O 3.07Å; Y38-R53 HydrophobicContact CD1-CB 4.21Å; Y38-R53 HydrophobicContact CE1-CB 4.05Å |
| 39 | N | 40.5 | Very low | 42.2 | Very low | 78 Ų | 78 | 88.3 Ų | 88.3 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 139.3 | 175.6 | -162.6 | -15.2 | 0 | 0 | 0 | 111.2 | L51 | N39-L51 HydrophobicContact CB-CB 4.12Å; N39-L51 HydrophobicContact CB-CD1 4.11Å; N39-L51 HydrophobicContact CB-CG 4.5Å; N39-L51 PolarHBondContact N-O 3.43Å; N39-L51 PolarHBondContact O-N 2.78Å |
| 40 | V | 43.6 | Very low | 42.1 | Very low | 51 Ų | 51 | 84.3 Ų | 84.3 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 109.6 | 173 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | S15 V37 I48 T49 L50 | S15-V40 WeakPolarHBondContact OG-CG1 3.45Å; V37-V40 HydrophobicContact CG1-CG2 3.97Å; V40-I48 HydrophobicContact CG1-CG2 3.29Å; V40-T49 WeakPolarHBondContact CA-O 3.43Å; V40-L50 HydrophobicContact CB-CD2 3.93Å; V40-L50 HydrophobicContact CG1-CD2 3.51Å; V40-L50 HydrophobicContact CG2-CD2 3.34Å |
| 41 | S | 42.3 | Very low | 42.2 | Very low | 50 Ų | 50 | 84.4 Ų | 84.4 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.9 | 176.8 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | I48 T49 | S41-I48 CarbonylContact O-C 3.57Å; S41-I48 WeakPolarHBondContact O-CA 3.22Å; S41-T49 PolarHBondContact N-O 2.84Å; S41-T49 PolarHBondContact O-N 3.3Å; S41-T49 WeakPolarHBondContact OG-CB 3.25Å |
| 42 | I | 41.9 | Very low | 41.9 | Very low | 59 Ų | 59 | 83.5 Ų | 83.5 | 30% | 0.303 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.4 | 172.9 | -58 | -168 | 0 | 0 | 0 | 108.4 | I11 K47 I48 | I11-I42 HydrophobicContact CB-CD1 3.8Å; I11-I42 HydrophobicContact CD1-CD1 3.78Å; I11-I42 HydrophobicContact CG1-CD1 3.45Å; I11-I42 VanDerWaalsContact CG1-CD1 3.45Å; I11-I42 HydrophobicContact CG2-CD1 3.29Å; I11-I42 HydrophobicContact CG2-CG1 4.36Å; I42-K47 CarbonylContact C-O 3.02Å; I42-K47 VanDerWaalsContact CA-O 3.28Å; I42-K47 WeakPolarHBondContact CA-O 3.2Å; I42-I48 HydrophobicContact CD1-CD1 3.5Å; I42-I48 VanDerWaalsContact CD1-CD1 3.5Å; I42-I48 HydrophobicContact CD1-CG1 4.04Å; I42-I48 HydrophobicContact CG1-CD1 3.76Å; I42-I48 HydrophobicContact CG1-CG1 3.88Å; I42-I48 HydrophobicContact CG1-CG2 4.48Å |
| 43 | W | 38.5 | Very low | 41.7 | Very low | 136 Ų | 136 | 83.2 Ų | 83.2 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.1 | 170.5 | -173.9 | 59.9 | 0 | 0 | 0 | 109.4 | Q45 K47 P72 | W43-Q45 PolarHBondContact O-N 3Å; W43-K47 HydrophobicContact CE3-CD 3.94Å; W43-K47 HydrophobicContact CE3-CG 4.45Å; W43-K47 HydrophobicContact CZ3-CD 4.18Å; W43-K47 PolarHBondContact N-O 3.49Å; W43-K47 PolarHBondContact O-N 3.03Å; W43-P72 HydrophobicContact CE3-CB 4.12Å; W43-P72 HydrophobicContact CZ3-CB 4.17Å; W43-P72 HydrophobicContact CZ3-CG 4.33Å |
| 44 | N | 39.4 | Very low | 41.7 | Very low | 132 Ų | 132 | 83.1 Ų | 83.1 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 49 | 170.1 | -96 | 5.3 | 0 | 0 | 0 | 116 | R46 | N44-R46 PolarHBondContact O-N 3.2Š|
| 45 | Q | 38.3 | Very low | 41.7 | Very low | 119 Ų | 119 | 84.8 Ų | 84.8 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -13.9 | 173.6 | -57.2 | -174.2 | -23.1 | 0 | 0 | 117.1 | W7 W43 | W7-Q45 HydrophobicContact CH2-CB 4.38Å; W7-Q45 HydrophobicContact CH2-CG 4.46Å; W7-Q45 HydrophobicContact CZ2-CB 4.05Å; W7-Q45 HydrophobicContact CZ2-CG 3.8Å; W43-Q45 PolarHBondContact O-N 3Å |
| 46 | R | 36 | Very low | 41.6 | Very low | 182 Ų | 182 | 90.1 Ų | 90.1 | 69% | 0.687 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -16.7 | -173 | -68 | -166.3 | 170.1 | -158.8 | 2.9 | 114 | N44 E117 | N44-R46 PolarHBondContact O-N 3.2Å; R46-E117 IonicContact CZ-OE1 3.01Å; R46-E117 IonicContact NE-OE1 3.55Å; R46-E117 IonicContact NH1-OE1 2.72Å; R46-E117 PolarHBondContact NH1-OE1 3.43Å; R46-E117 IonicContact NH2-OE1 3.47Å; R46-E117 PolarHBondContact NH2-OE1 3.47Å |
| 47 | K | 37.3 | Very low | 41.9 | Very low | 59 Ų | 59 | 88.7 Ų | 88.7 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.8 | -178.3 | -60.4 | -163.4 | -170.7 | 177.4 | 0 | 111 | I42 W43 | I42-K47 CarbonylContact C-O 3.02Å; I42-K47 VanDerWaalsContact CA-O 3.28Å; I42-K47 WeakPolarHBondContact CA-O 3.2Å; W43-K47 HydrophobicContact CE3-CD 3.94Å; W43-K47 HydrophobicContact CE3-CG 4.45Å; W43-K47 HydrophobicContact CZ3-CD 4.18Å; W43-K47 PolarHBondContact N-O 3.49Å; W43-K47 PolarHBondContact O-N 3.03Å |
| 48 | I | 39.6 | Very low | 41.7 | Very low | 15 Ų | 15 | 88.5 Ų | 88.5 | 8% | 0.077 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.1 | 166 | -51.8 | -147.7 | 0 | 0 | 0 | 108.8 | F14 V40 S41 I42 L50 L75 | F14-I48 HydrophobicContact CD1-CD1 3.03Å; F14-I48 HydrophobicContact CD1-CG1 3.95Å; F14-I48 HydrophobicContact CE1-CB 4.24Å; F14-I48 HydrophobicContact CE1-CD1 3.23Å; F14-I48 HydrophobicContact CE1-CG1 3.6Å; F14-I48 HydrophobicContact CG-CD1 4.1Å; F14-I48 HydrophobicContact CZ-CD1 4.43Å; V40-I48 HydrophobicContact CG1-CG2 3.29Å; S41-I48 CarbonylContact O-C 3.57Å; S41-I48 WeakPolarHBondContact O-CA 3.22Å; I42-I48 HydrophobicContact CD1-CD1 3.5Å; I42-I48 VanDerWaalsContact CD1-CD1 3.5Å; I42-I48 HydrophobicContact CD1-CG1 4.04Å; I42-I48 HydrophobicContact CG1-CD1 3.76Å; I42-I48 HydrophobicContact CG1-CG1 3.88Å; I42-I48 HydrophobicContact CG1-CG2 4.48Å; I48-L50 HydrophobicContact CG2-CD2 4.07Å; I48-L50 HydrophobicContact CG2-CG 4.24Å; I48-L75 HydrophobicContact CB-CD1 3.91Å; I48-L75 WeakPolarHBondContact O-CD1 3.23Å; I48-L75 WeakPolarHBondContact O-CG 3.2Å |
| 49 | T | 42 | Very low | 41.6 | Very low | 48 Ų | 48 | 83.9 Ų | 83.9 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 110 | 169.2 | -50.4 | 0 | 0 | 0 | 0 | 107.7 | V40 S41 L51 | V40-T49 WeakPolarHBondContact CA-O 3.43Å; S41-T49 PolarHBondContact N-O 2.84Å; S41-T49 PolarHBondContact O-N 3.3Å; S41-T49 WeakPolarHBondContact OG-CB 3.25Å; T49-L51 HydrophobicContact CG2-CD2 4.07Å; T49-L51 HydrophobicContact CG2-CG 4.28Å |
| 50 | L | 41.7 | Very low | 41.5 | Very low | 11 Ų | 11 | 91.2 Ų | 91.2 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.6 | 166.9 | -63.7 | 176.3 | 0 | 0 | 0 | 108.1 | A18 S19 V37 V40 I48 F65 | A18-L50 HydrophobicContact CB-CD1 3.88Å; S19-L50 WeakPolarHBondContact OG-CD2 3.24Å; V37-L50 HydrophobicContact CG1-CD2 4.35Å; V40-L50 HydrophobicContact CB-CD2 3.93Å; V40-L50 HydrophobicContact CG1-CD2 3.51Å; V40-L50 HydrophobicContact CG2-CD2 3.34Å; I48-L50 HydrophobicContact CG2-CD2 4.07Å; I48-L50 HydrophobicContact CG2-CG 4.24Å; L50-F65 HydrophobicContact CB-CD1 4.37Å; L50-F65 HydrophobicContact CB-CE1 3.65Å; L50-F65 HydrophobicContact CB-CZ 4.18Å; L50-F65 WeakPolarHBondContact O-CD1 3.37Å; L50-F65 WeakPolarHBondContact O-CE1 3.24Å |
| 51 | L | 46.7 | Very low | 41.3 | Very low | 47 Ų | 47 | 94.6 Ų | 94.6 | 25% | 0.246 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.7 | 168.9 | -61.7 | 176.5 | 0 | 0 | 0 | 107.9 | Y38 N39 T49 | Y38-L51 HydrophobicContact CE1-CB 4.17Å; Y38-L51 HydrophobicContact CE2-CB 3.97Å; Y38-L51 HydrophobicContact CE2-CD1 4.33Å; Y38-L51 PolarHBondContact N-O 3.07Å; N39-L51 HydrophobicContact CB-CB 4.12Å; N39-L51 HydrophobicContact CB-CD1 4.11Å; N39-L51 HydrophobicContact CB-CG 4.5Å; N39-L51 PolarHBondContact N-O 3.43Å; N39-L51 PolarHBondContact O-N 2.78Å; T49-L51 HydrophobicContact CG2-CD2 4.07Å; T49-L51 HydrophobicContact CG2-CG 4.28Å |
| 52 | A | 43.1 | Very low | 41.1 | Very low | 16 Ų | 16 | 92.3 Ų | 92.3 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M35 E36 V37 F65 | M35-A52 HydrophobicContact CE-CB 4.18Å; M35-A52 HydrophobicContact CG-CB 3.77Å; M35-A52 HydrophobicContact SD-CB 4.2Å; E36-A52 CarbonylContact O-C 3.52Å; E36-A52 VanDerWaalsContact O-CA 3.22Å; E36-A52 WeakPolarHBondContact O-CA 3.29Å; E36-A52 WeakPolarHBondContact O-CB 3.44Å; V37-A52 HydrophobicContact CB-CB 4.42Å; V37-A52 HydrophobicContact CG2-CB 3.99Å; A52-F65 HydrophobicContact CB-CD1 3.47Å; A52-F65 VanDerWaalsContact CB-CD1 3.47Å; A52-F65 HydrophobicContact CB-CE1 3.01Å; A52-F65 HydrophobicContact CB-CE2 4.25Å; A52-F65 HydrophobicContact CB-CG 4.27Å; A52-F65 HydrophobicContact CB-CZ 3.46Å; A52-F65 VanDerWaalsContact CB-CZ 3.46Å |
| 53 | R | 41.2 | Very low | 41 | Very low | 189 Ų | 189 | 89.9 Ų | 89.9 | 71% | 0.713 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.7 | 170.3 | -152.4 | 174.5 | -147.4 | 179 | 6.1 | 108.9 | E36 Y38 | E36-R53 PolarHBondContact N-O 2.73Å; E36-R53 VanDerWaalsContact N-O 3.11Å; E36-R53 PolarHBondContact O-N 3.47Å; Y38-R53 HydrophobicContact CD1-CB 4.21Å; Y38-R53 HydrophobicContact CE1-CB 4.05Å |
| 54 | S | 42.5 | Very low | 40.7 | Very low | 21 Ų | 21 | 86.2 Ų | 86.2 | 15% | 0.147 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.5 | 167.8 | 164.4 | 0 | 0 | 0 | 0 | 107.2 | V33 K56 | V33-S54 WeakPolarHBondContact CG1-OG 3.41Å; S54-K56 WeakPolarHBondContact CB-O 3.32Å; S54-K56 PolarHBondContact O-N 2.78Å; S54-K56 PolarHBondContact OG-N 3.3Å; S54-K56 VanDerWaalsContact OG-N 3.15Å; S54-K56 PolarHBondContact OG-O 3.36Å |
| 55 | Y | 43.6 | Very low | 40.4 | Very low | 209 Ų | 209 | 81.4 Ų | 81.4 | 82% | 0.82 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -70.8 | -6.5 | 174.9 | -67.1 | -85.6 | 0 | 0 | 0 | 112.9 | ||
| 56 | K | 42.5 | Very low | 39.8 | Very low | 135 Ų | 135 | 81 Ų | 81 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -126.5 | 149.3 | 175.1 | -69.2 | -175.3 | 179.8 | -178.8 | 0 | 110.7 | V33 S54 L58 | V33-K56 HydrophobicContact CG2-CD 4.25Å; S54-K56 WeakPolarHBondContact CB-O 3.32Å; S54-K56 PolarHBondContact O-N 2.78Å; S54-K56 PolarHBondContact OG-N 3.3Å; S54-K56 VanDerWaalsContact OG-N 3.15Å; S54-K56 PolarHBondContact OG-O 3.36Å; K56-L58 PolarHBondContact O-N 3.29Å |
| 57 | P | 46.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 79.9 Ų | 79.9 | 75% | 0.747 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 126 | 174.1 | 23.2 | -32.3 | 0 | 0 | 0 | 110.2 | ||
| 58 | L | 43.1 | Very low | 38.9 | Very low | 46 Ų | 46 | 83.7 Ų | 83.7 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 133.1 | 176.9 | -75.2 | 149.6 | 0 | 0 | 0 | 109.1 | C26 L30 M35 K56 C62 F65 | C26-L58 HydrophobicContact CB-CD2 4.12Å; L30-L58 HydrophobicContact CD1-CD2 3.37Å; L30-L58 HydrophobicContact CD1-CG 4.16Å; M35-L58 HydrophobicContact SD-CD1 4.31Å; M35-L58 HydrophobicContact SD-CD2 3.67Å; K56-L58 PolarHBondContact O-N 3.29Å; L58-C62 HydrophobicContact CB-CB 4.37Å; L58-C62 HydrophobicContact CD2-CB 4.12Å; L58-F65 HydrophobicContact CD1-CB 3.99Å; L58-F65 HydrophobicContact CD1-CD2 4.03Å; L58-F65 HydrophobicContact CD1-CG 4.11Å |
| 59 | P | 43.1 | Very low | 38.2 | Very low | 44 Ų | 44 | 84.6 Ų | 84.6 | 29% | 0.286 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 144.4 | 171.6 | 24.2 | -33.5 | 0 | 0 | 0 | 108.8 | L29 L30 H61 C62 | L29-P59 HydrophobicContact CB-CG 4.09Å; L29-P59 HydrophobicContact CD1-CG 4.46Å; L30-P59 HydrophobicContact CD2-CG 4.13Å; L30-P59 HydrophobicContact CG-CG 4.21Å; P59-H61 PolarHBondContact O-N 2.9Å; P59-C62 WeakPolarHBondContact O-CB 3.31Å; P59-C62 PolarHBondContact O-N 3.46Å |
| 60 | R | 38.7 | Very low | 37.4 | Very low | 232 Ų | 232 | 89.4 Ų | 89.4 | 88% | 0.875 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -16.2 | 178.7 | -83.8 | -179.3 | 158.9 | 170.8 | -5.6 | 114.4 | ||
| 61 | H | 39.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 92.7 Ų | 92.7 | 56% | 0.56 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -17.2 | 179.4 | -57.2 | -67.9 | 0 | 0 | 0 | 114.1 | L29 P59 C63 A79 C80 | L29-H61 HydrophobicContact CD1-CB 4.02Å; P59-H61 PolarHBondContact O-N 2.9Å; H61-C63 PolarHBondContact O-N 3.49Å; H61-A79 CarbonylContact O-C 3.27Å; H61-A79 WeakPolarHBondContact O-CB 3.29Å; H61-C80 PolarHBondContact O-N 2.88Å |
| 62 | C | 37.3 | Very low | 35.5 | Very low | 3 Ų | 3 | 93.3 Ų | 93.3 | 2% | 0.02 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -62.2 | 133.2 | 163.2 | -90.7 | 0 | 0 | 0 | 0 | 108.3 | C26 L58 P59 V64 | C26-C62 WeakPolarHBondContact CA-SG 3.34Å; C26-C62 HydrophobicContact CB-CB 4.4Å; C26-C62 WeakPolarHBondContact CB-SG 3.3Å; C26-C62 WeakPolarHBondContact SG-CB 3.46Å; C26-C62 CovalentContact SG-SG 2.03Å; C26-C62 PolarHBondContact SG-SG 2.94Å; L58-C62 HydrophobicContact CB-CB 4.37Å; L58-C62 HydrophobicContact CD2-CB 4.12Å; P59-C62 WeakPolarHBondContact O-CB 3.31Å; P59-C62 PolarHBondContact O-N 3.46Å; C62-V64 PolarHBondContact O-N 3.35Å |
| 63 | C | 41.3 | Very low | 34.7 | Very low | 8 Ų | 8 | 95.8 Ų | 95.8 | 5% | 0.054 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -35.3 | 119.9 | 177.3 | -50 | 0 | 0 | 0 | 0 | 109.1 | C22 H61 F65 | C22-C63 WeakPolarHBondContact CA-SG 3.46Å; C22-C63 HydrophobicContact CB-CB 3.68Å; C22-C63 WeakPolarHBondContact CB-SG 3.27Å; C22-C63 WeakPolarHBondContact SG-CB 2.8Å; C22-C63 CovalentContact SG-SG 2.04Å; C22-C63 PolarHBondContact SG-SG 2.9Å; H61-C63 PolarHBondContact O-N 3.49Å; C63-F65 VanDerWaalsContact C-N 3.33Å; C63-F65 WeakPolarHBondContact O-CD2 3.37Å; C63-F65 PolarHBondContact O-N 3.46Å |
| 64 | V | 32.1 | Very low | 34.1 | Very low | 59 Ų | 59 | 90.5 Ų | 90.5 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | trans | -49.3 | 92.9 | -161.4 | -174.6 | 0 | 0 | 0 | 0 | 112 | C62 L73 D76 | C62-V64 PolarHBondContact O-N 3.35Å; V64-L73 HydrophobicContact CG1-CB 4.3Å; V64-L73 HydrophobicContact CG1-CD1 3.52Å; V64-D76 HydrophobicContact CG2-CB 3.85Å | ||
| 65 | F | 31.4 | Very low | 33.6 | Very low | 30 Ų | 30 | 92 Ų | 92 | 13% | 0.132 | 46% | 0.463 | C | S | . | . | trans | -84.3 | 103.9 | 166.8 | -79.9 | -74.5 | 0 | 0 | 0 | 106 | C22 M35 V37 L50 A52 L58 C63 H67 | C22-F65 HydrophobicContact CB-CE2 3.94Å; C22-F65 HydrophobicContact CB-CZ 4.19Å; M35-F65 HydrophobicContact CE-CD2 4.47Å; M35-F65 HydrophobicContact CE-CE2 3.39Å; M35-F65 HydrophobicContact CE-CZ 3.42Å; M35-F65 VanDerWaalsContact CE-CZ 3.42Å; M35-F65 HydrophobicContact SD-CD2 4.36Å; M35-F65 HydrophobicContact SD-CE2 3.79Å; M35-F65 HydrophobicContact SD-CZ 4.19Å; V37-F65 HydrophobicContact CG2-CZ 4.44Å; L50-F65 HydrophobicContact CB-CD1 4.37Å; L50-F65 HydrophobicContact CB-CE1 3.65Å; L50-F65 HydrophobicContact CB-CZ 4.18Å; L50-F65 WeakPolarHBondContact O-CD1 3.37Å; L50-F65 WeakPolarHBondContact O-CE1 3.24Å; A52-F65 HydrophobicContact CB-CD1 3.47Å; A52-F65 VanDerWaalsContact CB-CD1 3.47Å; A52-F65 HydrophobicContact CB-CE1 3.01Å; A52-F65 HydrophobicContact CB-CE2 4.25Å; A52-F65 HydrophobicContact CB-CG 4.27Å; A52-F65 HydrophobicContact CB-CZ 3.46Å; A52-F65 VanDerWaalsContact CB-CZ 3.46Å; L58-F65 HydrophobicContact CD1-CB 3.99Å; L58-F65 HydrophobicContact CD1-CD2 4.03Å; L58-F65 HydrophobicContact CD1-CG 4.11Å; C63-F65 VanDerWaalsContact C-N 3.33Å; C63-F65 WeakPolarHBondContact O-CD2 3.37Å; C63-F65 PolarHBondContact O-N 3.46Å; F65-H67 PolarHBondContact O-N 2.89Å | ||
| 66 | R | 26.6 | Very low | 33 | Very low | 111 Ų | 111 | 86.2 Ų | 86.2 | 42% | 0.419 | 45% | 0.447 | S | S | . | . | trans | -82.2 | 115.9 | 172.7 | -144.7 | -175.4 | 169.9 | 166 | -7.8 | 110 | D68 S69 L73 | R66-D68 PolarHBondContact O-N 3.24Å; R66-S69 WeakPolarHBondContact CD-OG 3.38Å; R66-S69 VanDerWaalsContact CZ-CB 3.49Å; R66-S69 PolarHBondContact NE-OG 3.29Å; R66-S69 PolarHBondContact NH1-OG 2.81Å; R66-S69 VanDerWaalsContact NH1-OG 3.13Å; R66-L73 HydrophobicContact CB-CD1 3.95Å; R66-L73 HydrophobicContact CG-CD1 3.68Å | ||
| 67 | H | 26.8 | Very low | 32.6 | Very low | 158 Ų | 158 | 81.2 Ų | 81.2 | 73% | 0.731 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -53 | 121.7 | 159.4 | -135.6 | -77.4 | 0 | 0 | 0 | 109.2 | F65 S69 | F65-H67 PolarHBondContact O-N 2.89Å; H67-S69 PolarHBondContact O-N 3.27Å |
| 68 | D | 28.5 | Very low | 31.9 | Very low | 140 Ų | 140 | 83.5 Ų | 83.5 | 75% | 0.749 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 45.5 | 17.6 | 163.7 | -54.3 | -47.3 | 0 | 0 | 0 | 120.1 | R66 | R66-D68 PolarHBondContact O-N 3.24Š|
| 69 | S | 23.6 | Very low | 31.4 | Very low | 33 Ų | 33 | 82.2 Ų | 82.2 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | trans | -111.5 | 115.5 | -179.2 | 157.8 | 0 | 0 | 0 | 0 | 109.4 | R66 H67 V71 | R66-S69 WeakPolarHBondContact CD-OG 3.38Å; R66-S69 VanDerWaalsContact CZ-CB 3.49Å; R66-S69 PolarHBondContact NE-OG 3.29Å; R66-S69 PolarHBondContact NH1-OG 2.81Å; R66-S69 VanDerWaalsContact NH1-OG 3.13Å; H67-S69 PolarHBondContact O-N 3.27Å; S69-V71 PolarHBondContact O-N 3.24Å; S69-V71 VanDerWaalsContact OG-CB 3.23Å; S69-V71 WeakPolarHBondContact OG-CB 3.37Å; S69-V71 WeakPolarHBondContact OG-CG2 3.4Å; S69-V71 PolarHBondContact OG-N 3.05Å | ||
| 70 | V | 25.1 | Very low | 31.1 | Very low | 150 Ų | 150 | 80.3 Ų | 80.3 | 91% | 0.909 | 40% | 0.404 | S | S | * | . | trans | -60.2 | 12.3 | 170.7 | -166.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 71 | V | 23 | Very low | 31 | Very low | 80 Ų | 80 | 74.2 Ų | 74.2 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -93.9 | 123 | -177.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | S69 L73 | S69-V71 PolarHBondContact O-N 3.24Å; S69-V71 VanDerWaalsContact OG-CB 3.23Å; S69-V71 WeakPolarHBondContact OG-CB 3.37Å; S69-V71 WeakPolarHBondContact OG-CG2 3.4Å; S69-V71 PolarHBondContact OG-N 3.05Å; V71-L73 PolarHBondContact O-N 2.74Å |
| 72 | P | 26.4 | Very low | 30.9 | Very low | 59 Ų | 59 | 72.5 Ų | 72.5 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | trans | -67.4 | 90.6 | 175.6 | 27.8 | -33.9 | 0 | 0 | 0 | 110 | W43 | W43-P72 HydrophobicContact CE3-CB 4.12Å; W43-P72 HydrophobicContact CZ3-CB 4.17Å; W43-P72 HydrophobicContact CZ3-CG 4.33Å | ||
| 73 | L | 26.5 | Very low | 30.9 | Very low | 69 Ų | 69 | 72.8 Ų | 72.8 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | trans | -68.3 | 136.3 | 168.7 | -79.1 | 176.7 | 0 | 0 | 0 | 108.8 | V64 R66 V71 L75 | V64-L73 HydrophobicContact CG1-CB 4.3Å; V64-L73 HydrophobicContact CG1-CD1 3.52Å; R66-L73 HydrophobicContact CB-CD1 3.95Å; R66-L73 HydrophobicContact CG-CD1 3.68Å; V71-L73 PolarHBondContact O-N 2.74Å; L73-L75 PolarHBondContact O-N 2.89Å | ||
| 74 | P | 28.1 | Very low | 30.6 | Very low | 78 Ų | 78 | 78.2 Ų | 78.2 | 51% | 0.506 | 40% | 0.401 | S | S | . | . | trans | -54.1 | 136.9 | 166.2 | 24.3 | -30.7 | 0 | 0 | 0 | 108.6 | D76 | P74-D76 PolarHBondContact O-N 2.87Š| ||
| 75 | L | 32.4 | Very low | 30.8 | Very low | 51 Ų | 51 | 82.2 Ų | 82.2 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | trans | -60.8 | 91.3 | 167.4 | -101.2 | 144.1 | 0 | 0 | 0 | 107.1 | I48 L73 L77 | I48-L75 HydrophobicContact CB-CD1 3.91Å; I48-L75 WeakPolarHBondContact O-CD1 3.23Å; I48-L75 WeakPolarHBondContact O-CG 3.2Å; L73-L75 PolarHBondContact O-N 2.89Å; L75-L77 HydrophobicContact CB-CD1 4.31Å; L75-L77 HydrophobicContact CB-CG 4.31Å; L75-L77 HydrophobicContact CD2-CD1 4.05Å; L75-L77 HydrophobicContact CD2-CD2 4.12Å; L75-L77 HydrophobicContact CD2-CG 3.72Å; L75-L77 PolarHBondContact O-N 2.93Å | ||
| 76 | D | 31.1 | Very low | 31 | Very low | 89 Ų | 89 | 84.9 Ų | 84.9 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | trans | -77.2 | 70.8 | 165.5 | -138.5 | -28 | 0 | 0 | 0 | 106.6 | V64 P74 W78 A79 | V64-D76 HydrophobicContact CG2-CB 3.85Å; P74-D76 PolarHBondContact O-N 2.87Å; D76-W78 PolarHBondContact O-N 2.86Å; D76-W78 VanDerWaalsContact O-N 3.12Å; D76-W78 WeakPolarHBondContact OD1-CB 3.18Å; D76-A79 VanDerWaalsContact O-CB 3.31Å; D76-A79 WeakPolarHBondContact O-CB 3.36Å; D76-A79 PolarHBondContact O-N 2.81Å | ||
| 77 | L | 34.6 | Very low | 31.3 | Very low | 30 Ų | 30 | 80.7 Ų | 80.7 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -57 | -19.2 | 173.1 | -86.5 | 155 | 0 | 0 | 0 | 111.2 | L75 A79 L109 | L75-L77 HydrophobicContact CB-CD1 4.31Å; L75-L77 HydrophobicContact CB-CG 4.31Å; L75-L77 HydrophobicContact CD2-CD1 4.05Å; L75-L77 HydrophobicContact CD2-CD2 4.12Å; L75-L77 HydrophobicContact CD2-CG 3.72Å; L75-L77 PolarHBondContact O-N 2.93Å; L77-A79 PolarHBondContact O-N 2.75Å; L77-L109 HydrophobicContact CD1-CD2 3.86Å; L77-L109 HydrophobicContact CD2-CD2 3.6Å; L77-L109 HydrophobicContact CG-CD2 4.41Å |
| 78 | W | 30.3 | Very low | 31.5 | Very low | 163 Ų | 163 | 77.9 Ų | 77.9 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -62.1 | -19.3 | 172.9 | -84.4 | 42.8 | 0 | 0 | 0 | 114.1 | D76 C80 | D76-W78 PolarHBondContact O-N 2.86Å; D76-W78 VanDerWaalsContact O-N 3.12Å; D76-W78 WeakPolarHBondContact OD1-CB 3.18Å; W78-C80 PolarHBondContact O-N 3.13Å |
| 79 | A | 32.3 | Very low | 31.6 | Very low | 19 Ų | 19 | 76.2 Ų | 76.2 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -63.1 | -28.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H61 D76 L77 D81 | H61-A79 CarbonylContact O-C 3.27Å; H61-A79 WeakPolarHBondContact O-CB 3.29Å; D76-A79 VanDerWaalsContact O-CB 3.31Å; D76-A79 WeakPolarHBondContact O-CB 3.36Å; D76-A79 PolarHBondContact O-N 2.81Å; L77-A79 PolarHBondContact O-N 2.75Å; A79-D81 PolarHBondContact O-N 3.33Å |
| 80 | C | 36.8 | Very low | 32.1 | Very low | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.027 | 39% | 0.387 | C | S | . | . | trans | -83 | 100.1 | 171.3 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | C25 H61 W78 H82 V83 R84 | C25-C80 HydrophobicContact CB-CB 3.88Å; C25-C80 WeakPolarHBondContact CB-SG 3.26Å; C25-C80 WeakPolarHBondContact SG-CB 3.36Å; C25-C80 CovalentContact SG-SG 2.02Å; C25-C80 PolarHBondContact SG-SG 3.02Å; H61-C80 PolarHBondContact O-N 2.88Å; W78-C80 PolarHBondContact O-N 3.13Å; C80-H82 PolarHBondContact O-N 3.49Å; C80-H82 WeakPolarHBondContact SG-CB 3.46Å; C80-V83 HydrophobicContact CB-CG2 3.86Å; C80-V83 WeakPolarHBondContact O-CA 3.36Å; C80-V83 VanDerWaalsContact O-CB 3.29Å; C80-V83 WeakPolarHBondContact O-CB 3.12Å; C80-V83 PolarHBondContact O-N 3.33Å; C80-R84 PolarHBondContact O-N 2.78Å | ||
| 81 | D | 36.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 74.1 Ų | 74.1 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -49.5 | -27.4 | 173.9 | -132 | -33.3 | 0 | 0 | 0 | 113 | A79 V83 R84 K85 | A79-D81 PolarHBondContact O-N 3.33Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 3.49Å; D81-R84 PolarHBondContact O-N 3.41Å; D81-K85 PolarHBondContact O-N 3.26Å |
| 82 | H | 37.8 | Very low | 33.2 | Very low | 85 Ų | 85 | 78.7 Ų | 78.7 | 39% | 0.394 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.4 | -31.6 | 175.3 | -143.1 | -78.3 | 0 | 0 | 0 | 113.5 | R28 C80 H86 | R28-H82 PolarHBondContact NH1-CD2 3.36Å; R28-H82 PolarHBondContact NH1-CE1 3.42Å; R28-H82 PolarHBondContact NH1-NE2 2.8Å; C80-H82 PolarHBondContact O-N 3.49Å; C80-H82 WeakPolarHBondContact SG-CB 3.46Å; H82-H86 AromaticContact CE1-CD2 3.91Å; H82-H86 AromaticContact ND1-CD2 3.9Å; H82-H86 PolarHBondContact O-N 3.16Å |
| 83 | V | 38 | Very low | 33.4 | Very low | 8 Ų | 8 | 78.6 Ų | 78.6 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.1 | -48.9 | 171.4 | -178 | 0 | 0 | 0 | 0 | 108.7 | C80 D81 K85 H86 V87 C106 | C80-V83 HydrophobicContact CB-CG2 3.86Å; C80-V83 WeakPolarHBondContact O-CA 3.36Å; C80-V83 VanDerWaalsContact O-CB 3.29Å; C80-V83 WeakPolarHBondContact O-CB 3.12Å; C80-V83 PolarHBondContact O-N 3.33Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 3.49Å; V83-K85 PolarHBondContact O-N 3.32Å; V83-H86 PolarHBondContact O-N 3.09Å; V83-V87 HydrophobicContact CG1-CG2 3.76Å; V83-V87 WeakPolarHBondContact O-CB 3.07Å; V83-V87 WeakPolarHBondContact O-CG2 3.28Å; V83-V87 PolarHBondContact O-N 2.87Å; V83-C106 HydrophobicContact CG2-CB 3.72Å |
| 84 | R | 34 | Very low | 33.9 | Very low | 123 Ų | 123 | 78.2 Ų | 78.2 | 46% | 0.464 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.8 | -44.6 | -178.5 | -158.8 | 177 | 107.9 | 137.5 | 3.5 | 112.9 | C80 D81 L88 | C80-R84 PolarHBondContact O-N 2.78Å; D81-R84 PolarHBondContact O-N 3.41Å; R84-L88 HydrophobicContact CG-CD1 4.37Å; R84-L88 WeakPolarHBondContact O-CB 3.39Å; R84-L88 VanDerWaalsContact O-CG 3.28Å; R84-L88 WeakPolarHBondContact O-CG 3.44Å; R84-L88 PolarHBondContact O-N 2.97Å |
| 85 | K | 36.3 | Very low | 34.2 | Very low | 142 Ų | 142 | 78.2 Ų | 78.2 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 176 | -77.6 | -178.2 | -179.6 | 177.2 | 0 | 112.9 | D81 V83 N89 | D81-K85 PolarHBondContact O-N 3.26Å; V83-K85 PolarHBondContact O-N 3.32Å; K85-N89 PolarHBondContact O-N 2.83Å |
| 86 | H | 35.3 | Very low | 34.1 | Very low | 86 Ų | 86 | 83.2 Ų | 83.2 | 40% | 0.398 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.9 | -42.3 | 178.2 | -97.4 | -78.6 | 0 | 0 | 0 | 112.2 | H82 V83 L88 N89 F90 | H82-H86 AromaticContact CE1-CD2 3.91Å; H82-H86 AromaticContact ND1-CD2 3.9Å; H82-H86 PolarHBondContact O-N 3.16Å; V83-H86 PolarHBondContact O-N 3.09Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.47Å; H86-N89 CarbonylContact O-C 3.59Å; H86-N89 PolarHBondContact O-N 3.17Å; H86-N89 VanDerWaalsContact O-N 3.09Å; H86-F90 WeakPolarHBondContact O-CB 3.09Å; H86-F90 PolarHBondContact O-N 3.5Å |
| 87 | V | 33.4 | Very low | 34.1 | Very low | 24 Ų | 24 | 83.6 Ų | 83.6 | 15% | 0.145 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -55.6 | -51.3 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 109.7 | V83 N89 F90 V91 E110 | V83-V87 HydrophobicContact CG1-CG2 3.76Å; V83-V87 WeakPolarHBondContact O-CB 3.07Å; V83-V87 WeakPolarHBondContact O-CG2 3.28Å; V83-V87 PolarHBondContact O-N 2.87Å; V87-N89 PolarHBondContact O-N 3.45Å; V87-N89 VanDerWaalsContact O-N 3.16Å; V87-F90 CarbonylContact O-C 3.54Å; V87-F90 WeakPolarHBondContact O-CA 3.27Å; V87-F90 PolarHBondContact O-N 3.02Å; V87-V91 HydrophobicContact CG1-CG2 4.16Å; V87-V91 WeakPolarHBondContact O-CG2 3.39Å; V87-V91 PolarHBondContact O-N 3.29Å; V87-E110 WeakPolarHBondContact CG1-OE2 3.28Å; V87-E110 HydrophobicContact CG2-CG 4.32Å; V87-E110 WeakPolarHBondContact CG2-OE2 3.39Å |
| 88 | L | 30.6 | Very low | 33.9 | Very low | 99 Ų | 99 | 83.4 Ų | 83.4 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.9 | -31.8 | 178.1 | -75.8 | 170 | 0 | 0 | 0 | 113.2 | R84 H86 | R84-L88 HydrophobicContact CG-CD1 4.37Å; R84-L88 WeakPolarHBondContact O-CB 3.39Å; R84-L88 VanDerWaalsContact O-CG 3.28Å; R84-L88 WeakPolarHBondContact O-CG 3.44Å; R84-L88 PolarHBondContact O-N 2.97Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.47Å |
| 89 | N | 32 | Very low | 33.7 | Very low | 105 Ų | 105 | 82.9 Ų | 82.9 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -80.3 | -28.2 | 172.9 | -81.6 | -20.7 | 0 | 0 | 0 | 113.1 | K85 H86 V87 K92 | K85-N89 PolarHBondContact O-N 2.83Å; H86-N89 CarbonylContact O-C 3.59Å; H86-N89 PolarHBondContact O-N 3.17Å; H86-N89 VanDerWaalsContact O-N 3.09Å; V87-N89 PolarHBondContact O-N 3.45Å; V87-N89 VanDerWaalsContact O-N 3.16Å; N89-K92 PolarHBondContact O-N 3.48Å |
| 90 | F | 33.3 | Very low | 33.5 | Very low | 19 Ų | 19 | 88.7 Ų | 88.7 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -80.4 | -31.1 | -178.5 | -142.2 | -80.6 | 0 | 0 | 0 | 112.7 | H86 V87 K92 M93 T98 H101 V111 | H86-F90 WeakPolarHBondContact O-CB 3.09Å; H86-F90 PolarHBondContact O-N 3.5Å; V87-F90 CarbonylContact O-C 3.54Å; V87-F90 WeakPolarHBondContact O-CA 3.27Å; V87-F90 PolarHBondContact O-N 3.02Å; F90-K92 PolarHBondContact O-N 2.94Å; F90-M93 HydrophobicContact CB-CE 4.22Å; F90-M93 HydrophobicContact CD1-CE 4.03Å; F90-M93 HydrophobicContact CD2-CE 2.95Å; F90-M93 HydrophobicContact CE1-CE 4.13Å; F90-M93 HydrophobicContact CE2-CE 3.08Å; F90-M93 HydrophobicContact CG-CE 3.48Å; F90-M93 VanDerWaalsContact CG-CE 3.48Å; F90-M93 HydrophobicContact CZ-CE 3.71Å; F90-M93 PolarHBondContact O-N 3.33Å; F90-T98 HydrophobicContact CE1-CG2 3.56Å; F90-T98 VanDerWaalsContact CE1-OG1 3.26Å; F90-T98 WeakPolarHBondContact CE1-OG1 3.28Å; F90-T98 HydrophobicContact CZ-CG2 3.86Å; F90-H101 HydrophobicContact CE2-CB 4.23Å; F90-H101 HydrophobicContact CZ-CB 4.48Å; F90-V111 HydrophobicContact CD1-CG2 4.46Å; F90-V111 HydrophobicContact CE1-CG2 4.41Å |
| 91 | V | 31.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 93.4 Ų | 93.4 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.1 | 171.4 | -153.9 | 0 | 0 | 0 | 0 | 111.6 | V87 | V87-V91 HydrophobicContact CG1-CG2 4.16Å; V87-V91 WeakPolarHBondContact O-CG2 3.39Å; V87-V91 PolarHBondContact O-N 3.29Å |
| 92 | K | 39.9 | Very low | 32.6 | Very low | 176 Ų | 176 | 91.2 Ų | 91.2 | 77% | 0.765 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.4 | 174.2 | -62 | -174.9 | 179.8 | -178.9 | 0 | 114.6 | N89 F90 | N89-K92 PolarHBondContact O-N 3.48Å; F90-K92 PolarHBondContact O-N 2.94Å |
| 93 | M | 31.3 | Very low | 32.2 | Very low | 56 Ų | 56 | 90.8 Ų | 90.8 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -92.6 | 136.1 | -178.3 | -74.6 | -163.3 | -67.6 | 0 | 0 | 111.7 | F90 Q97 | F90-M93 HydrophobicContact CB-CE 4.22Å; F90-M93 HydrophobicContact CD1-CE 4.03Å; F90-M93 HydrophobicContact CD2-CE 2.95Å; F90-M93 HydrophobicContact CE1-CE 4.13Å; F90-M93 HydrophobicContact CE2-CE 3.08Å; F90-M93 HydrophobicContact CG-CE 3.48Å; F90-M93 VanDerWaalsContact CG-CE 3.48Å; F90-M93 HydrophobicContact CZ-CE 3.71Å; F90-M93 PolarHBondContact O-N 3.33Å; M93-Q97 HydrophobicContact CB-CB 4.15Å; M93-Q97 HydrophobicContact CG-CB 4.48Å; M93-Q97 HydrophobicContact SD-CB 4.12Å |
| 94 | S | 35.9 | Very low | 31.9 | Very low | 62 Ų | 62 | 96.6 Ų | 96.6 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | trans | -63.2 | 154.7 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | E96 Q97 T98 | S94-E96 PolarHBondContact O-N 3.44Å; S94-E96 VanDerWaalsContact O-N 3.08Å; S94-Q97 PolarHBondContact O-N 3.12Å; S94-T98 PolarHBondContact O-N 3.43Å; S94-T98 PolarHBondContact O-OG1 3.32Å | ||
| 95 | A | 35.6 | Very low | 31.9 | Very low | 78 Ų | 78 | 92.2 Ų | 92.2 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -54.9 | -30.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T98 | A95-T98 VanDerWaalsContact O-CB 3.3Å; A95-T98 WeakPolarHBondContact O-CB 3.4Å; A95-T98 PolarHBondContact O-N 2.9Å |
| 96 | E | 29.1 | Very low | 32.1 | Very low | 156 Ų | 156 | 87 Ų | 87 | 73% | 0.729 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.1 | -38.6 | 177.7 | -67.2 | 174.2 | 157 | 0 | 0 | 112.4 | S94 T98 M99 | S94-E96 PolarHBondContact O-N 3.44Å; S94-E96 VanDerWaalsContact O-N 3.08Å; E96-T98 PolarHBondContact O-N 3.3Å; E96-M99 PolarHBondContact O-N 2.88Å |
| 97 | Q | 31.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 83 Ų | 83 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.6 | -24.3 | 175.4 | -73.1 | -178.4 | -30.2 | 0 | 0 | 112.3 | M93 S94 M99 N100 H101 | M93-Q97 HydrophobicContact CB-CB 4.15Å; M93-Q97 HydrophobicContact CG-CB 4.48Å; M93-Q97 HydrophobicContact SD-CB 4.12Å; S94-Q97 PolarHBondContact O-N 3.12Å; Q97-M99 VanDerWaalsContact C-N 3.35Å; Q97-N100 PolarHBondContact O-N 2.94Å; Q97-H101 PolarHBondContact O-N 3.39Å |
| 98 | T | 31.3 | Very low | 32.2 | Very low | 26 Ų | 26 | 83.9 Ų | 83.9 | 16% | 0.16 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | F90 S94 A95 E96 V111 | F90-T98 HydrophobicContact CE1-CG2 3.56Å; F90-T98 VanDerWaalsContact CE1-OG1 3.26Å; F90-T98 WeakPolarHBondContact CE1-OG1 3.28Å; F90-T98 HydrophobicContact CZ-CG2 3.86Å; S94-T98 PolarHBondContact O-N 3.43Å; S94-T98 PolarHBondContact O-OG1 3.32Å; A95-T98 VanDerWaalsContact O-CB 3.3Å; A95-T98 WeakPolarHBondContact O-CB 3.4Å; A95-T98 PolarHBondContact O-N 2.9Å; E96-T98 PolarHBondContact O-N 3.3Å; T98-V111 HydrophobicContact CG2-CG1 4.42Å |
| 99 | M | 25.5 | Very low | 32.6 | Very low | 152 Ų | 152 | 79.4 Ų | 79.4 | 75% | 0.749 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.9 | -35.7 | -178.7 | -70.6 | -171.5 | 67.8 | 0 | 0 | 112.5 | E96 Q97 H101 A102 | E96-M99 PolarHBondContact O-N 2.88Å; Q97-M99 VanDerWaalsContact C-N 3.35Å; M99-H101 VanDerWaalsContact C-N 3.33Å; M99-H101 PolarHBondContact O-N 3.26Å; M99-A102 WeakPolarHBondContact O-CB 3.3Å; M99-A102 PolarHBondContact O-N 3.05Å |
| 100 | N | 28.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 77.2 Ų | 77.2 | 76% | 0.759 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -74.2 | -25.8 | -179.7 | -71 | -28.9 | 0 | 0 | 0 | 112.9 | Q97 A102 | Q97-N100 PolarHBondContact O-N 2.94Å; N100-A102 PolarHBondContact O-N 2.78Å |
| 101 | H | 27.9 | Very low | 32.7 | Very low | 103 Ų | 103 | 78.2 Ų | 78.2 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 27.3 | 173.4 | -79.4 | 102.9 | 0 | 0 | 0 | 113.4 | F90 Q97 M99 A103 | F90-H101 HydrophobicContact CE2-CB 4.23Å; F90-H101 HydrophobicContact CZ-CB 4.48Å; Q97-H101 PolarHBondContact O-N 3.39Å; M99-H101 VanDerWaalsContact C-N 3.33Å; M99-H101 PolarHBondContact O-N 3.26Å; H101-A103 PolarHBondContact O-N 3.02Å |
| 102 | A | 26.1 | Very low | 32.8 | Very low | 57 Ų | 57 | 75 Ų | 75 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | trans | -62.1 | -0.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M99 N100 L104 M108 | M99-A102 WeakPolarHBondContact O-CB 3.3Å; M99-A102 PolarHBondContact O-N 3.05Å; N100-A102 PolarHBondContact O-N 2.78Å; A102-L104 PolarHBondContact O-N 2.83Å; A102-M108 WeakPolarHBondContact CA-SD 3.33Å; A102-M108 HydrophobicContact CB-CE 4.07Å; A102-M108 HydrophobicContact CB-SD 4.33Å | ||
| 103 | A | 28.7 | Very low | 32.5 | Very low | 76 Ų | 76 | 69.1 Ų | 69.1 | 63% | 0.628 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -64.4 | 76.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | H101 S105 | H101-A103 PolarHBondContact O-N 3.02Å; A103-S105 PolarHBondContact O-N 3.36Å |
| 104 | L | 33.1 | Very low | 32.6 | Very low | 130 Ų | 130 | 69.2 Ų | 69.2 | 68% | 0.681 | 40% | 0.403 | S | S | * | . | trans | 43.5 | 36 | 140.6 | -78 | 151.5 | 0 | 0 | 0 | 116.5 | V17 A102 | V17-L104 HydrophobicContact CG2-CD2 3.62Å; A102-L104 PolarHBondContact O-N 2.83Å | ||
| 105 | S | 34.3 | Very low | 32.2 | Very low | 31 Ų | 31 | 74.7 Ų | 74.7 | 22% | 0.217 | 41% | 0.414 | C | S | . | . | trans | -88 | 144.9 | 175.3 | 67.2 | 0 | 0 | 0 | 0 | 109.4 | A103 S107 M108 | A103-S105 PolarHBondContact O-N 3.36Å; S105-S107 WeakPolarHBondContact CB-OG 3.46Å; S105-S107 PolarHBondContact O-N 3.44Å; S105-S107 PolarHBondContact OG-OG 2.9Å; S105-M108 WeakPolarHBondContact O-CB 3.47Å; S105-M108 PolarHBondContact O-N 3.43Å | ||
| 106 | C | 39.2 | Very low | 32 | Very low | 33 Ų | 33 | 73.3 Ų | 73.3 | 22% | 0.223 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.5 | 177.9 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | C21 V83 M108 L109 | C21-C106 WeakPolarHBondContact CA-SG 3.4Å; C21-C106 HydrophobicContact CB-CB 3.87Å; C21-C106 WeakPolarHBondContact CB-SG 3.4Å; C21-C106 WeakPolarHBondContact SG-CA 3.12Å; C21-C106 WeakPolarHBondContact SG-CB 3.36Å; C21-C106 CovalentContact SG-SG 2.02Å; C21-C106 PolarHBondContact SG-SG 3.33Å; V83-C106 HydrophobicContact CG2-CB 3.72Å; C106-M108 VanDerWaalsContact C-N 3.32Å; C106-M108 PolarHBondContact O-N 3.08Å; C106-L109 VanDerWaalsContact O-CB 3.25Å; C106-L109 WeakPolarHBondContact O-CB 3.35Å; C106-L109 PolarHBondContact O-N 3.31Å |
| 107 | S | 35.6 | Very low | 31.9 | Very low | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.7 | -31.2 | 169.3 | 18.1 | 0 | 0 | 0 | 0 | 114.1 | S105 L109 E110 | S105-S107 WeakPolarHBondContact CB-OG 3.46Å; S105-S107 PolarHBondContact O-N 3.44Å; S105-S107 PolarHBondContact OG-OG 2.9Å; S107-L109 PolarHBondContact O-N 2.98Å; S107-E110 PolarHBondContact O-N 3.02Å |
| 108 | M | 35.2 | Very low | 31.6 | Very low | 41 Ų | 41 | 70.7 Ų | 70.7 | 20% | 0.202 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -25.2 | 174.6 | -76 | -169.1 | 86 | 0 | 0 | 112.2 | A102 S105 C106 E110 V111 L112 | A102-M108 WeakPolarHBondContact CA-SD 3.33Å; A102-M108 HydrophobicContact CB-CE 4.07Å; A102-M108 HydrophobicContact CB-SD 4.33Å; S105-M108 WeakPolarHBondContact O-CB 3.47Å; S105-M108 PolarHBondContact O-N 3.43Å; C106-M108 VanDerWaalsContact C-N 3.32Å; C106-M108 PolarHBondContact O-N 3.08Å; M108-E110 VanDerWaalsContact C-N 3.34Å; M108-E110 PolarHBondContact O-N 2.99Å; M108-V111 PolarHBondContact O-N 2.88Å; M108-L112 WeakPolarHBondContact O-CB 3.42Å; M108-L112 VanDerWaalsContact O-CG 3.28Å; M108-L112 WeakPolarHBondContact O-CG 3.19Å; M108-L112 PolarHBondContact O-N 3.44Å |
| 109 | L | 39 | Very low | 31.3 | Very low | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | -177.8 | -141.6 | 102.5 | 0 | 0 | 0 | 111 | F14 V17 A18 L77 C106 S107 L112 V113 | F14-L109 HydrophobicContact CD2-CD1 4.17Å; F14-L109 HydrophobicContact CD2-CD2 4.49Å; F14-L109 HydrophobicContact CD2-CG 3.95Å; F14-L109 HydrophobicContact CE1-CD2 3.94Å; F14-L109 HydrophobicContact CE1-CG 4.39Å; F14-L109 HydrophobicContact CE2-CD1 4.05Å; F14-L109 HydrophobicContact CE2-CD2 3.6Å; F14-L109 HydrophobicContact CE2-CG 3.39Å; F14-L109 HydrophobicContact CG-CD1 4.5Å; F14-L109 HydrophobicContact CZ-CD1 4.32Å; F14-L109 HydrophobicContact CZ-CD2 3.31Å; F14-L109 HydrophobicContact CZ-CG 3.69Å; V17-L109 HydrophobicContact CB-CD1 3.8Å; V17-L109 HydrophobicContact CG1-CD1 3.47Å; V17-L109 VanDerWaalsContact CG1-CD1 3.47Å; A18-L109 HydrophobicContact CB-CD1 4.1Å; A18-L109 HydrophobicContact CB-CD2 4.19Å; L77-L109 HydrophobicContact CD1-CD2 3.86Å; L77-L109 HydrophobicContact CD2-CD2 3.6Å; L77-L109 HydrophobicContact CG-CD2 4.41Å; C106-L109 VanDerWaalsContact O-CB 3.25Å; C106-L109 WeakPolarHBondContact O-CB 3.35Å; C106-L109 PolarHBondContact O-N 3.31Å; S107-L109 PolarHBondContact O-N 2.98Å; L109-L112 PolarHBondContact O-N 2.77Å; L109-V113 VanDerWaalsContact O-CG2 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.07Å; L109-V113 PolarHBondContact O-N 3.33Å |
| 110 | E | 34.1 | Very low | 31.6 | Very low | 60 Ų | 60 | 85.1 Ų | 85.1 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 172.9 | -79.7 | -164.2 | 170.9 | 0 | 0 | 112.1 | V87 S107 M108 L112 V113 A114 | V87-E110 WeakPolarHBondContact CG1-OE2 3.28Å; V87-E110 HydrophobicContact CG2-CG 4.32Å; V87-E110 WeakPolarHBondContact CG2-OE2 3.39Å; S107-E110 PolarHBondContact O-N 3.02Å; M108-E110 VanDerWaalsContact C-N 3.34Å; M108-E110 PolarHBondContact O-N 2.99Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.06Å; E110-V113 PolarHBondContact O-N 2.95Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3.2Å |
| 111 | V | 34 | Very low | 31.8 | Very low | 40 Ų | 40 | 82.3 Ų | 82.3 | 24% | 0.242 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | F90 T98 M108 R115 | F90-V111 HydrophobicContact CD1-CG2 4.46Å; F90-V111 HydrophobicContact CE1-CG2 4.41Å; T98-V111 HydrophobicContact CG2-CG1 4.42Å; M108-V111 PolarHBondContact O-N 2.88Å; V111-R115 WeakPolarHBondContact O-CB 3.28Å; V111-R115 PolarHBondContact O-N 2.8Å |
| 112 | L | 32.6 | Very low | 32 | Very low | 52 Ų | 52 | 81.2 Ų | 81.2 | 27% | 0.272 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 178.4 | -71.2 | 178.7 | 0 | 0 | 0 | 111.2 | Y10 M108 L109 E110 A116 | Y10-L112 HydrophobicContact CE2-CB 4.39Å; Y10-L112 HydrophobicContact CE2-CD2 4.26Å; Y10-L112 WeakPolarHBondContact OH-CB 3.3Å; Y10-L112 PolarHBondContact OH-O 3.37Å; M108-L112 WeakPolarHBondContact O-CB 3.42Å; M108-L112 VanDerWaalsContact O-CG 3.28Å; M108-L112 WeakPolarHBondContact O-CG 3.19Å; M108-L112 PolarHBondContact O-N 3.44Å; L109-L112 PolarHBondContact O-N 2.77Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.06Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.47Å |
| 113 | V | 34.4 | Very low | 32.3 | Very low | 52 Ų | 52 | 82.5 Ų | 82.5 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | F14 L109 E110 R115 A116 E117 | F14-V113 HydrophobicContact CD2-CG2 4.49Å; F14-V113 HydrophobicContact CE2-CG2 3.45Å; F14-V113 VanDerWaalsContact CE2-CG2 3.45Å; F14-V113 HydrophobicContact CZ-CG2 3.91Å; L109-V113 VanDerWaalsContact O-CG2 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.07Å; L109-V113 PolarHBondContact O-N 3.33Å; E110-V113 PolarHBondContact O-N 2.95Å; V113-R115 VanDerWaalsContact C-N 3.25Å; V113-R115 PolarHBondContact O-N 3.32Å; V113-A116 CarbonylContact O-C 3.52Å; V113-A116 PolarHBondContact O-N 2.74Å; V113-E117 HydrophobicContact CG1-CG 4.46Å; V113-E117 PolarHBondContact O-N 3.23Å |
| 114 | A | 32 | Very low | 32.5 | Very low | 59 Ų | 59 | 82.9 Ų | 82.9 | 49% | 0.488 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E110 V118 | E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3.2Å; A114-V118 WeakPolarHBondContact O-CG2 3.42Å; A114-V118 PolarHBondContact O-N 3.14Å |
| 115 | R | 29.4 | Very low | 32.5 | Very low | 176 Ų | 176 | 79.9 Ų | 79.9 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -72.8 | -33.9 | 173.2 | -80 | -173.4 | 149.7 | 158.6 | -4 | 113.4 | V111 V113 E117 V118 | V111-R115 WeakPolarHBondContact O-CB 3.28Å; V111-R115 PolarHBondContact O-N 2.8Å; V113-R115 VanDerWaalsContact C-N 3.25Å; V113-R115 PolarHBondContact O-N 3.32Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-V118 WeakPolarHBondContact O-CB 3.38Å; R115-V118 PolarHBondContact O-N 3.47Å; R115-V118 VanDerWaalsContact O-N 3.14Å |
| 116 | A | 30.5 | Very low | 32.4 | Very low | 50 Ų | 50 | 83.2 Ų | 83.2 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.8 | -25.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L112 V113 V118 | L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.47Å; V113-A116 CarbonylContact O-C 3.52Å; V113-A116 PolarHBondContact O-N 2.74Å; A116-V118 PolarHBondContact O-N 2.72Å |
| 117 | E | 26.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 86.8 Ų | 86.8 | 49% | 0.486 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.5 | 168.4 | -73.4 | -157.3 | 128.2 | 0 | 0 | 113.1 | R46 V113 R115 K119 | R46-E117 IonicContact CZ-OE1 3.01Å; R46-E117 IonicContact NE-OE1 3.55Å; R46-E117 IonicContact NH1-OE1 2.72Å; R46-E117 PolarHBondContact NH1-OE1 3.43Å; R46-E117 IonicContact NH2-OE1 3.47Å; R46-E117 PolarHBondContact NH2-OE1 3.47Å; V113-E117 HydrophobicContact CG1-CG 4.46Å; V113-E117 PolarHBondContact O-N 3.23Å; R115-E117 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 2.99Å |
| 118 | V | 25.7 | Very low | 31.6 | Very low | 93 Ų | 93 | 93.2 Ų | 93.2 | 56% | 0.564 | 45% | 0.451 | S | S | * | . | trans | -80.3 | 76.8 | 163.8 | -168.4 | 0 | 0 | 0 | 0 | 109 | A114 R115 A116 | A114-V118 WeakPolarHBondContact O-CG2 3.42Å; A114-V118 PolarHBondContact O-N 3.14Å; R115-V118 WeakPolarHBondContact O-CB 3.38Å; R115-V118 PolarHBondContact O-N 3.47Å; R115-V118 VanDerWaalsContact O-N 3.14Å; A116-V118 PolarHBondContact O-N 2.72Å | ||
| 119 | K | 26.5 | Very low | 31.3 | Very low | 167 Ų | 167 | 97.6 Ų | 97.6 | 73% | 0.726 | 47% | 0.472 | S | S | * | . | trans | -84.4 | 98.9 | 149.6 | -72.7 | -165 | -179.3 | -177.5 | 0 | 107.4 | E117 | E117-K119 PolarHBondContact O-N 2.99Š| ||
| 120 | W | 31.2 | Very low | 30.6 | Very low | 313 Ų | 313 | 106 Ų | 106 | 100% | 1.186 | 51% | 0.512 | S | S | * | . | trans | -99.5 | 0 | 142.7 | -75 | 50.9 | 0 | 0 | 0 | 106 |
Retrieved 120 of 120 residues in 82.6 ms
(Link to these results)